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| CAS No.: | 2379-76-2 |
|---|---|
| Name: | Vat Yellow 10 |
| Molecular Structure: | |
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| Formula: | C68H42N6O8 |
| Molecular Weight: | 1071.11 |
| Synonyms: | 4-Biphenylcarboxamide,4',4'''-azobis[N-(5-benzamido-1-anthraquinonyl)- (7CI,8CI);[1,1'-Biphenyl]-4-carboxamide,4',4'''-azobis[N-[5-(benzoylamino)-9,10-dihydro-9,10-dioxo-1-anthracenyl]-(9CI);C.I. 65430;C.I. Vat Yellow 10;Nihonthrene Yellow GGF;[1,1'-Biphenyl]-4-carboxamide,4',4'''-(1,2-diazenediyl)bis[N-[5-(benzoylamino)-9,10-dihydro-9,10-dioxo-1-anthracenyl]-; |
| EINECS: | 219-165-7 |
| Density: | 1.36 g/cm3 |
| PSA: | 209.40000 |
| LogP: | 14.28800 |
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- Total:24 Page 1 of 1 1
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Chemistry
Molecule structure of Vat Yellow 10 (CAS NO.2379-76-2):
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Molecular Weight: 1071.09648 g/mol
Molecular Formula: C68H42N6O8
Density: 1.36 g/cm3
Index of Refraction: 1.719
Molar Refractivity: 310.5 cm3
Molar Volume: 786.6 cm3
Surface Tension: 59.6 dyne/cm
XLogP3-AA: 14.4
H-Bond Donor: 4
H-Bond Acceptor: 10
Rotatable Bond Count: 12
Tautomer Count: 938
Exact Mass: 1070.306412
MonoIsotopic Mass: 1070.306412
Topological Polar Surface Area: 209
Heavy Atom Count: 82
Canonical SMILES: C1=CC=C(C=C1)C2=C(C=C(C=C2)N=NC3=CC=C(C=C3)C4=CC(=CC=C4)C(=O)NC5=CC=CC6=C5C(=O)C7=C(C6=O)C(=CC=C7)NC(=O)C8=CC=CC=C8)C(=O)NC9=CC=CC1=C9C(=O)C2=C(C1=O)C(=CC=C2)NC(=O)C1=CC=CC=C1
InChI: InChI=1S/C68H42N6O8/c75-61-50-25-13-29-55(59(50)62(76)48-23-11-27-53(57(48)61)69-65(79)41-17-6-2-7-18-41)71-67(81)44-22-10-21-43(37-44)39-31-33-45(34-32-39)73-74-46-35-36-47(40-15-4-1-5-16-40)52(38-46)68(82)72-56-30-14-26-51-60(56)64(78)49-24-12-28-54(58(49)63(51)77)70-66(80)42-19-8-3-9-20-42/h1-38H,(H,69,79)(H,70,80)(H,71,81)(H,72,82)
InChIKey: YVMOWKDTEALPMU-UHFFFAOYSA-N
EINECS: 219-165-7
Specification
Vat Yellow 10 (CAS NO.2379-76-2) is also named as (1,1'-Biphenyl)-4-carboxamide, 4',4'''-(1,2-diazenediyl)bis(N-(5-(benzoylamino)-9,10-dihydro-9,10-dioxo-1-anthracenyl)- ; (1,1'-Biphenyl)-4-carboxamide, 4',4'''-azobis(N-(5-(benzoylamino)-9,10-dihydro-9,10-dioxo-1-anthracenyl)- ; 4',4'''-Azobis(N-(5-(benzoylamino)-9,10-dihydro-9,10-dioxo-
1-anthryl)(1,1'-biphenyl)-4-carboxamide) .